8-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one | 37040-48-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 8-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one
• 英文别名: 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one；7-(trifluoromethyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
• CAS: 37040-48-5
• 化学式: C₁₀H₉F₃N₂O
• 分子量: 230.189
• InChiKey: IQXBTFYYERUXCM-UHFFFAOYSA-N

物化性质

• 熔点：
  190-192 °C
• 沸点：
  350.5±42.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-苯基哌嗪 、 8-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one 在 四氯化钛 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以55%的产率得到4-(4-Phenyl-piperazin-1-yl)-7-trifluoromethyl-2,3-dihydro-1H-benzo[b][1,4]diazepine
  参考文献：
  名称：

  Clozapine derived 2,3-dihydro-1H-1,4- and 1,5-benzodiazepines with D4 receptor selectivity: synthesis and biological testing

  摘要：

  Novel 4-arylpiperazin-l-yl-substituted 2,3-dihydro-1H-1,4- and 1H-1,5-benzodiazepines and their aza-analogues were synthesized as debenzoclozapine derivatives for evaluation as potential D4-ligands. While K-i values of some of the title compounds came within the range of clozapine, they showed an impressively greater selectivity over other dopamine receptor subtypes, especially D2. For the most promising compounds, intrinsic activity and binding properties to serotonin 5-HT1(A) and 5-HT2 were also determined. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.023

文献信息

• NEUROMEDIN U DERIVATIVE
  申请人：Ohtaki Tetsuya

  公开号：US20100286035A1

  公开（公告）日：2010-11-11

  The objective of the present invention is to provide a new antifeedant. The other objective of the present invention is to provide a NMU derivative showing a high antifeedant activity even in common administration forms such as peripheral administration. A neuromedin U derivative wherein a methoxypolyethylene glycol is bound via a linker having a specific structure to a polypeptide which contains at least 8 amino acids of the C-terminus of an amino acid sequence of neuromedin U and which consists of the same or substantially the same amino acid sequence as the amino acid sequence of neuromedin U.

  本发明的目的是提供一种新的抗饲料剂。本发明的另一个目的是提供一种NMU衍生物，即使在常见的给药形式如周围给药中也表现出高抗饲料活性。一种神经介质U衍生物，其中通过具有特定结构的连接物将甲氧基聚乙二醇与包含神经介质U氨基酸序列C-末端至少8个氨基酸的多肽结合，该多肽由与神经介质U氨基酸序列相同或基本相同的氨基酸序列组成。
• Benzamide derivatives and their use as vasopressin antagonists
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0620216A1

  公开（公告）日：1994-10-19

  A compound of the formula : wherein R¹ ishydrogen or lower alkyl, R² ishydrogen, lower alkyl, halo(lower)alkyl, halogen or lower alkoxy, R³ and R⁴are each hydrogen, lower alkyl or taken together to form oxo, R⁵ ishydrogen, halogen, nitro, hydroxy, protected hydroxy, lower alkyl or lower alkoxy optionally substituted with lower alkylamino, R⁶ ishydrogen, lower alkyl or acyl, A is in which the substituents R⁷ to R¹³ and the symbol Y have certain meanings, and pharmaceutically accetable salts thereof, and processes for preparing them, and pharmaceutical compositions comprising them as an active ingredient.

  式中的化合物： 式中 R¹ 是氢或低级烷基、 R² 是氢、低级烷基、卤代（低级）烷基、卤素或低级烷氧基、 R³ 和 R⁴ 分别为氢、低级烷基或合在一起形成氧代、 R⁵ 是氢、卤素、硝基、羟基、受保护的羟基、低级烷基或可选择被低级烷基氨基取代的低级烷氧基、 R⁶ 是氢、低级烷基或酰基、 A 是 其中取代基 R⁷ 至 R¹³ 和符号 Y 具有特定含义，以及它们的可药用盐、它们的制备方法和包含它们作为活性成分的药物组合物。
• METASTIN DERIVATIVE AND USE THEREOF
  申请人：Asami Taiji

  公开号：US20110212890A1

  公开（公告）日：2011-09-01

  Disclosed is a stable metastin derivative having excellent biological activities (e.g., a cancer metastasis inhibiting activity, a cancer proliferation inhibiting activity, a gonadotropin secretion promoting activity, a sex hormone secretion promoting activity). A metastin derivative produced by substituting a constituent amino acid in metastin can be improved in stability in the blood and can have an excellent cancer metastasis inhibiting activity, an excellent cancer proliferation inhibiting activity, an excellent gonadotropin secretion inhibiting activity, an excellent sex hormone secretion inhibiting activity and the like by binding the metastin derivative to polyethylene glycol.
• PEPTIDE DERIVATIVE
  申请人：Asami Taiji

  公开号：US20120094898A1

  公开（公告）日：2012-04-19

  The present invention relates to a peptide derivative selected from the group consisting of PEG20k(AL)-β-Ala-Tyr-Nal(1)-Leu-Phe-Arg-Pro-Arg-Asn-NH 2 , PEG20k(AL)-β-Ala-Tyr-Nal(2)-Leu-Phe-Arg-Pro-Arg-Asn-NH 2 , PEG20k(AL)-NpipAc-Tyr-Nal(2)-Leu-Phe-Arg-Pro-Arg-Asn-NH 2 , PEG20k(AL)-NpipAc-Tyr-Nal(2)-Leu-Phe-Arg-Ala-Arg-Asn-NH 2 , PEG20k(AL)-PEG(2)-Tyr-Nal(2)-Leu-Phe-Arg-NMeAla-Arg-Asn-NH 2 , PEG20k(AL)-Pic(4)-Tyr-Nal(2)-Leu-Phe-Arg-NMeAla-Arg-Asn-NH 2 , PEG20k(AL)-Acp-Tyr-Nal(2)-Leu-Phe-Arg-NMeAla-Arg-Asn-NH 2 , and PEG20k(AL)-β-Ala-Tyr-Nal(2)-Leu-Pya(4)-Arg-Pro-Arg-Asn-NH 2 ; or a salt thereof.
• US5521170A
  申请人：——

  公开号：US5521170A

  公开（公告）日：1996-05-28